GPUs for molecular dynamics
So, how do they draw those fancy protein pictures?
This workshop deals with using graphics processing units (GPUs) for improving research work in the field of molecular modeling. The topics include using the extreme number-crunching power of GPUs to speed up classical molecular dynamics calculations with the Gromacs software and high-quality, high-throughput visualization of results with the VMD software.
The workshop consists of lectures given by Gromacs developers, and related hands-on exercises. The exercises are carried out in workstations powered by Nvidia Tesla cards.
10.00-11.00 Lecture I
11.00-12.00 Lecture II
14.45-16.30 Tutorials continued
9.30-10.30 Introduction to VMD & Using VMD with Gromacs
10.45-12.00 Hands-on exercises
13.00-13.45 Advanced VMD Features: Many Uses of Scripting
13.45-14.30 Hands-on exercises
14.45-16.00 Hands-on exercises continued
16.00-16.30 Course wrap-up and discussion
- VMD / Gromacs exercises
- Gromacs GPU workshop slides 2
- Gromacs GPU workshop slides 1
- VMD GMX sample data
- 100 euros + VAT (24%) for Finnish academics
- 300 euros + VAT (24%) for others
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